Members Login
Directory links
- Associations (5)
- Companies (4)
- Journals (15)
- People (16)
- Research Groups (44)
- Structure and Image Repositories (5)
- Electronic Structure (11)
- Molecular Dynamics (9)
- Molecular Mechanics (1)
- Monte Carlo (2)
Directory in other languages
CHEMISTRY COMPUTATIONAL
Top -> Science -> Chemistry -> Computational (124)
Australian Computational Chemistry Via the Internet Project
A set of web-based teaching modules as well as links to related sites.
www.chem.swin.edu.au
A set of web-based teaching modules as well as links to related sites.
www.chem.swin.edu.au
Centre for Molecular Modeling
Provides several tutorials related to molecular modeling, directory of software and links to databases.
cmm.info.nih.gov
Provides several tutorials related to molecular modeling, directory of software and links to databases.
cmm.info.nih.gov
Molecular Docking Web
Protein-ligand Docking, structures, bioinformatics, computational chemistry, and drug design resources.
www.scripps.edu
Protein-ligand Docking, structures, bioinformatics, computational chemistry, and drug design resources.
www.scripps.edu
Doubly Nudged Elastic Band Method
A framework for finding transition states based on the nudged elastic band method, balancing accuracy with efficiency.
www.trygub.com
A framework for finding transition states based on the nudged elastic band method, balancing accuracy with efficiency.
www.trygub.com
MatHub
Features current and background information about molecular modeling and informatics for chemistry and materials science.
www.mathub.com
Features current and background information about molecular modeling and informatics for chemistry and materials science.
www.mathub.com
QSAR World
Includes brief introductions to concepts in Quantitative Structure Activity Relationship modeling as well as links to relevant literature
www.qsarworld.com
Includes brief introductions to concepts in Quantitative Structure Activity Relationship modeling as well as links to relevant literature
www.qsarworld.com
Computational Chemistry and Organic Synthesis
A tutorial intended for experimental organic chemists, with emphasis on computational methods for locating and characterizing transition states.
www.cmbi.ru.nl
A tutorial intended for experimental organic chemists, with emphasis on computational methods for locating and characterizing transition states.
www.cmbi.ru.nl
Cambridge University Silicon Graphics Teaching Laboratory
An outline of a course in computational chemistry. Includes exercises in conformational search, molecular dynamics, visualization, and databases.
www.ch.cam.ac.uk
An outline of a course in computational chemistry. Includes exercises in conformational search, molecular dynamics, visualization, and databases.
www.ch.cam.ac.uk
MathMol
Provides students, teachers and researchers the basic concepts in mathematics and their connection to molecular modeling. Links to Software, 3D libraries and tutorials.
www.nyu.edu
Provides students, teachers and researchers the basic concepts in mathematics and their connection to molecular modeling. Links to Software, 3D libraries and tutorials.
www.nyu.edu
Molecular Modeling for Organic Chemistry
Summary of lecture course which aims to introduce the hierarchy of computational modeling methods used in Organic Chemistry. Links to background and supplemental information.
www.ch.ic.ac.uk
Summary of lecture course which aims to introduce the hierarchy of computational modeling methods used in Organic Chemistry. Links to background and supplemental information.
www.ch.ic.ac.uk
Computational Chemistry Comparison and Benchmark Database
NIST database of small molecules with well established heat of formation, including results from many computational methods, including semiempirical and ab initio with various basis sets.
srdata.nist.gov
NIST database of small molecules with well established heat of formation, including results from many computational methods, including semiempirical and ab initio with various basis sets.
srdata.nist.gov
Computational Chemistry List
A resource for computational chemists. Discussions on chemistry software, data, conferences, jobs, quantum chemistry, molecular mechanics, molecular dynamics, QSAR, molecular graphics, molecular modeling, and associated archives
www.ccl.net
A resource for computational chemists. Discussions on chemistry software, data, conferences, jobs, quantum chemistry, molecular mechanics, molecular dynamics, QSAR, molecular graphics, molecular modeling, and associated archives
www.ccl.net
